piperazin-1-yl-(2,3,5,6-tetramethylphenyl)methanone

C15H22N2O — CID 82130774

IUPACpiperazin-1-yl-(2,3,5,6-tetramethylphenyl)methanone
SMILESCc1cc(C)c(C)c(C(=O)N2CCNCC2)c1C
InChIInChI=1S/C15H22N2O/c1-10-9-11(2)13(4)14(12(10)3)15(18)17-7-5-16-6-8-17/h9,16H,5-8H2,1-4H3
InChIKeyKSPZQEYCCOXWLX-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.97
Rot. Bonds1

About piperazin-1-yl-(2,3,5,6-tetramethylphenyl)methanone

piperazin-1-yl-(2,3,5,6-tetramethylphenyl)methanone (PubChem CID 82130774) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is piperazin-1-yl-(2,3,5,6-tetramethylphenyl)methanone.

Molecular Properties

Compound Namepiperazin-1-yl-(2,3,5,6-tetramethylphenyl)methanone
PubChem CID82130774
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Namepiperazin-1-yl-(2,3,5,6-tetramethylphenyl)methanone
SMILESCc1cc(C)c(C)c(C(=O)N2CCNCC2)c1C
InChIInChI=1S/C15H22N2O/c1-10-9-11(2)13(4)14(12(10)3)15(18)17-7-5-16-6-8-17/h9,16H,5-8H2,1-4H3
InChIKeyKSPZQEYCCOXWLX-UHFFFAOYSA-N
XLogP1.97
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-hydroxy-2,6-dimethylphenyl)-piperazin-1-ylmethanone
CID 82266519
N-(2,3,5,6-tetramethylphenyl)piperazine-1-carboxamide
CID 82302374
2-piperazin-1-yl-1-(2,3,5,6-tetramethylphenyl)propan-1-one
CID 82267292
(2,6-difluoro-3-methylphenyl)-piperazin-1-ylmethanone
CID 82814419
(3-bromo-4-methylphenyl)-piperazin-1-ylmethanone
CID 81469486
1-(1,4-diazepan-1-yl)-2-(2,3,5,6-tetramethylphenyl)ethanone
CID 94698726
2-piperazin-1-yl-1-(2,3,5,6-tetramethylphenyl)butan-1-one
CID 82136425
(2-ethoxy-3,6-dimethylphenyl)-piperazin-1-ylmethanone
CID 82266893
(4-methyl-1H-pyrrol-3-yl)-piperazin-1-ylmethanone;hydrochloride
CID 131160128
(3,5-dimethylfuran-2-yl)-piperazin-1-ylmethanone;hydrochloride
CID 119400963
(4-ethylsulfonyl-1,4-diazepan-1-yl)-(2,3,5,6-tetramethylphenyl)methanone
CID 110810074
1-[4-(piperazine-1-carbonyl)phenyl]ethanone
CID 82510195

Frequently Asked Questions

What is the IUPAC name of piperazin-1-yl-(2,3,5,6-tetramethylphenyl)methanone?
The IUPAC name of piperazin-1-yl-(2,3,5,6-tetramethylphenyl)methanone (CID 82130774) is piperazin-1-yl-(2,3,5,6-tetramethylphenyl)methanone.
What is the SMILES notation for piperazin-1-yl-(2,3,5,6-tetramethylphenyl)methanone?
The canonical SMILES for piperazin-1-yl-(2,3,5,6-tetramethylphenyl)methanone is Cc1cc(C)c(C)c(C(=O)N2CCNCC2)c1C.
What is the InChIKey of piperazin-1-yl-(2,3,5,6-tetramethylphenyl)methanone?
The InChIKey is KSPZQEYCCOXWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-10-9-11(2)13(4)14(12(10)3)15(18)17-7-5-16-6-8-17/h9,16H,5-8H2,1-4H3.
What are the key properties of piperazin-1-yl-(2,3,5,6-tetramethylphenyl)methanone?
piperazin-1-yl-(2,3,5,6-tetramethylphenyl)methanone has a molecular weight of 246.35 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for piperazin-1-yl-(2,3,5,6-tetramethylphenyl)methanone is sourced from PubChem (CID 82130774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).